5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide

C27H37ClN6O2 — CID 130460223

IUPAC5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide
SMILES[H]/N=C/c1c(NC(C)C)nc(C2=CC(C)(C)NC(C)(C)C2)c(Cl)c1C(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C27H37ClN6O2/c1-14(2)31-23-18(12-29)20(25(36)30-13-19-15(3)9-16(4)32-24(19)35)21(28)22(33-23)17-10-26(5,6)34-27(7,8)11-17/h9-10,12,14,29,34H,11,13H2,1-8H3,(H,30,36)(H,31,33)(H,32,35)/b29-12+
InChIKeyDLXNLZVZVNOTPP-XKJRVUDJSA-N
MW513.09 g/mol
LogP4.72
Rot. Bonds7

About 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide

5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide (PubChem CID 130460223) has the molecular formula C27H37ClN6O2 and a molecular weight of 513.09 g/mol. Its IUPAC name is 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide
PubChem CID130460223
Molecular FormulaC27H37ClN6O2
Molecular Weight513.09 g/mol
Exact Mass512.27
IUPAC Name5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide
SMILES[H]/N=C/c1c(NC(C)C)nc(C2=CC(C)(C)NC(C)(C)C2)c(Cl)c1C(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C27H37ClN6O2/c1-14(2)31-23-18(12-29)20(25(36)30-13-19-15(3)9-16(4)32-24(19)35)21(28)22(33-23)17-10-26(5,6)34-27(7,8)11-17/h9-10,12,14,29,34H,11,13H2,1-8H3,(H,30,36)(H,31,33)(H,32,35)/b29-12+
InChIKeyDLXNLZVZVNOTPP-XKJRVUDJSA-N
XLogP4.72
TPSA122.76 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.09
LogP ≤ 54.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
CID 130460065
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(oxetan-3-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide
CID 130460224
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide
CID 130459960
3-methanimidoyl-4-methyl-N-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridin-2-amine
CID 130460037
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 134525501
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 130459985
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 130460274
tert-butyl 4-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-methanimidoyl-6-(propan-2-ylamino)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]piperidine-1-carboxylate
CID 123346163
6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide
CID 123606182
2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide
CID 86672645
(2R)-1-[[3-(cyclopentylamino)-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methanimidoylphenyl]methyl]pyrrolidine-2-carboxamide
CID 130460106
5-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoyl-3-(oxan-4-ylamino)benzamide
CID 130460089

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide (CID 130460223) is 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide is [H]/N=C/c1c(NC(C)C)nc(C2=CC(C)(C)NC(C)(C)C2)c(Cl)c1C(=O)NCc1c(C)cc(C)[nH]c1=O.
What is the InChIKey of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide?
The InChIKey is DLXNLZVZVNOTPP-XKJRVUDJSA-N. The full InChI is InChI=1S/C27H37ClN6O2/c1-14(2)31-23-18(12-29)20(25(36)30-13-19-15(3)9-16(4)32-24(19)35)21(28)22(33-23)17-10-26(5,6)34-27(7,8)11-17/h9-10,12,14,29,34H,11,13H2,1-8H3,(H,30,36)(H,31,33)(H,32,35)/b29-12+.
What are the key properties of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide?
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide has a molecular weight of 513.09 g/mol, XLogP of 4.72, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 130460223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).